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Title Electronics Properties of Monoclinic HfO2
Authors Abdelkrim, Mostefai
Smail, Berrah
Hamza, Abid
ORCID
Keywords SiO2
HfO2
DFT
aproximation LDA
approximation GGA
ADF-BAND
pseudo-potential (PP)
atomic orbitals (AO)
slater type orbitals (STO)
Type Article
Date of Issue 2018
URI http://essuir.sumdu.edu.ua/handle/123456789/71655
Publisher Sumy State University
License
Citation Abdelkrim, Mostefai Electronics Properties of Monoclinic HfO[2] / M. Abdelkrim, B. Smail, A. Hamza // Журнал нано- та електронної фізики. - 2018. - Т.10, № 6. - 06026. - DOI: 10.21272/jnep.10(6).06026
Abstract Density functional theory (DFT) is a very successful technique to calculating the properties of manyelectron systems from first principles. The bands structures, charge density and density of state (DOS) of monoclinic HfO2 are calculated using Pseudo potential (PP) and Atomic Orbitals (AO) method, within the density functional theory DFT, generalized gradient approximation GGA and local density approximation LDA. Hafnium oxide (HfO2) is a high-k dielectric (dielectric constant k ~ 25 at 300 K, band gap Eg ≈ 6 eV); thermally stable up to 700 ◦C. HfO2 is used in semiconductor manufacturing processes where they are usually used to replace a silicon dioxide gate dielectric.
Appears in Collections: Журнал нано- та електронної фізики (Journal of nano- and electronic physics)

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